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852936-69-7

852936-69-7 structural image
Product Name: (5alpha,7beta)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxo-chola-8,20-dien-24-oic acid
Formula: C27H36O6
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COMPUTED DESCRIPTORS

Molecular Weight 456.6 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 456.25118886 g/mol
Monoisotopic Mass 456.25118886 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes